5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione

C21H27N3O3 — CID 164626807

IUPAC5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESCC1(c2ccccc2)CCN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CC1
InChIInChI=1S/C21H27N3O3/c1-20(15-5-3-2-4-6-15)11-13-24(14-12-20)17(25)9-10-21(16-7-8-16)18(26)22-19(27)23-21/h2-6,16H,7-14H2,1H3,(H2,22,23,26,27)
InChIKeyCXKLSQBNZASBCG-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.34
Rot. Bonds5

About 5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione

5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 164626807) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID164626807
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESCC1(c2ccccc2)CCN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CC1
InChIInChI=1S/C21H27N3O3/c1-20(15-5-3-2-4-6-15)11-13-24(14-12-20)17(25)9-10-21(16-7-8-16)18(26)22-19(27)23-21/h2-6,16H,7-14H2,1H3,(H2,22,23,26,27)
InChIKeyCXKLSQBNZASBCG-UHFFFAOYSA-N
XLogP2.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-5-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437710
(5S)-5-[3-(7-chloro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 166705295
5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 145108870
5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 134368735
(5S)-5-cyclopropyl-5-[3-oxo-3-[7-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propyl]imidazolidine-2,4-dione
CID 156823176
5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677215
5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677250
5-cyclopropyl-5-[3-[4-[3-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 146266054
(5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
CID 156822921
5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione
CID 121437938
5-methyl-5-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen
CID 145414351
5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437603

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione (CID 164626807) is 5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione is CC1(c2ccccc2)CCN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is CXKLSQBNZASBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-20(15-5-3-2-4-6-15)11-13-24(14-12-20)17(25)9-10-21(16-7-8-16)18(26)22-19(27)23-21/h2-6,16H,7-14H2,1H3,(H2,22,23,26,27).
What are the key properties of 5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 369.47 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 164626807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).